N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide

C18H18FN3O2S — CID 4541197

IUPACN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NN=C1CCSc2ccc(F)cc21
InChIInChI=1S/C18H18FN3O2S/c1-24-16-5-3-2-4-15(16)20-11-18(23)22-21-14-8-9-25-17-7-6-12(19)10-13(14)17/h2-7,10,20H,8-9,11H2,1H3,(H,22,23)
InChIKeyMCHJQFIFSLEFLY-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.26
Rot. Bonds5

About N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide

N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide (PubChem CID 4541197) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
PubChem CID4541197
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NN=C1CCSc2ccc(F)cc21
InChIInChI=1S/C18H18FN3O2S/c1-24-16-5-3-2-4-15(16)20-11-18(23)22-21-14-8-9-25-17-7-6-12(19)10-13(14)17/h2-7,10,20H,8-9,11H2,1H3,(H,22,23)
InChIKeyMCHJQFIFSLEFLY-UHFFFAOYSA-N
XLogP3.26
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
CID 9467470
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 6071350
N-(cyclopentylideneamino)-2-(2-methoxyanilino)acetamide
CID 968177
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4856859
N-[(E)-2,3-dihydrothiochromen-4-ylideneamino]-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 172942933
1-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-(3-methoxyphenyl)thiourea
CID 8900225
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
CID 8868997
2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 7393779
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4845594
N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide
CID 135735292
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide (CID 4541197) is N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)NN=C1CCSc2ccc(F)cc21.
What is the InChIKey of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide?
The InChIKey is MCHJQFIFSLEFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-24-16-5-3-2-4-15(16)20-11-18(23)22-21-14-8-9-25-17-7-6-12(19)10-13(14)17/h2-7,10,20H,8-9,11H2,1H3,(H,22,23).
What are the key properties of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide?
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 4541197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).